ChemSpider 2D Image | MFCD03679988 | C23H29N5O4S2

MFCD03679988

  • Molecular FormulaC23H29N5O4S2
  • Average mass503.638 Da
  • Monoisotopic mass503.166107 Da
  • ChemSpider ID4748090

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-{(Z)-[3-(2-Methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden]methyl}-9-methyl-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-{(Z)-[3-(2-Methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-{(Z)-[3-(2-Méthoxyéthyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène]méthyl}-9-méthyl-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-9-methyl-2-[[3-(4-morpholinyl)propyl]amino]- [ACD/Index Name]
618073-61-3 [RN]
MFCD03679988
(5Z)-3-(2-methoxyethyl)-5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
(5Z)-3-(2-methoxyethyl)-5-[[9-methyl-2-(3-morpholin-4-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3-((Z)-[3-(2-METHOXYETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL)-9-METHYL-2-([3-(4-MORPHOLINYL)PROPYL]AMINO)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
3-(2-methoxyethyl)-5-({9-methyl-2-[(3-morpholin-4-ylpropyl)amino]-4-oxo(5-hydropyridino[1,2-a]pyrimidin-3-yl)}methylene)-2-thioxo-1,3-thiazolidin-4-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 570.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.6±3.0 kJ/mol
    Flash Point: 299.0±32.9 °C
    Index of Refraction: 1.679
    Molar Refractivity: 135.6±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: -0.44
    ACD/LogD (pH 5.5): -1.93
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.15
    Polar Surface Area: 144 Å2
    Polarizability: 53.7±0.5 10-24cm3
    Surface Tension: 55.0±7.0 dyne/cm
    Molar Volume: 359.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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